Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50141158'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50141158 ((2S,3S)-7-Hydroxy-3-(4-hydroxy-phenyl)-5-methyl-2-...) Show SMILES Cc1cc(O)cc2O[C@@H]([C@@H](C(=O)c12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H31NO5/c1-19-17-23(32)18-25-26(19)28(33)27(20-5-9-22(31)10-6-20)29(35-25)21-7-11-24(12-8-21)34-16-15-30-13-3-2-4-14-30/h5-12,17-18,27,29,31-32H,2-4,13-16H2,1H3/t27-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human estrogen receptor alpha in competitive binding assay				Bioorg Med Chem Lett 14: 1417-21 (2004) Article DOI: 10.1016/j.bmcl.2004.01.031 BindingDB Entry DOI: 10.7270/Q28G8K4S
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